2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine

C16H18ClN3 — CID 120768884

IUPAC2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESClc1ccccc1C1CNCCN1Cc1ccncc1
InChIInChI=1S/C16H18ClN3/c17-15-4-2-1-3-14(15)16-11-19-9-10-20(16)12-13-5-7-18-8-6-13/h1-8,16,19H,9-12H2
InChIKeyDGCWWUCRGIDXKZ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine

2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 120768884) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID120768884
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESClc1ccccc1C1CNCCN1Cc1ccncc1
InChIInChI=1S/C16H18ClN3/c17-15-4-2-1-3-14(15)16-11-19-9-10-20(16)12-13-5-7-18-8-6-13/h1-8,16,19H,9-12H2
InChIKeyDGCWWUCRGIDXKZ-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
CID 120768758
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120768945
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine (CID 120768884) is 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine is Clc1ccccc1C1CNCCN1Cc1ccncc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is DGCWWUCRGIDXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-15-4-2-1-3-14(15)16-11-19-9-10-20(16)12-13-5-7-18-8-6-13/h1-8,16,19H,9-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine?
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 287.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 120768884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).